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CAS 1378589-77-5 [1,2,4]Triazolo[1,5-a]pyridine-7-carbonitrile molecular structure lightbox
CAS RN: 1378589-77-5

[1,2,4]Triazolo[1,5-a]pyridine-7-carbonitrile

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Batchno.20250408 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1378589-77-5
  • Purity/Analytical Methods: >99.0%
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1378589-77-5 / [1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile

Standard CAS: 1378589-77-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1378589-77-5
Multi CAS
No
Molecular Formula
C7H4N4
Molecular Weight
144.130000
Exact Mass
144.043596
SMILES
C1=CN2C(=NC=N2)C=C1C#N
InChI
InChI=1S/C7H4N4/c8-4-6-1-2-11-7(3-6)9-5-10-11/h1-3,5H
InChIKey
FKVNYPRXEFGGNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
4
Molar refractivity
37.7
TPSA
53.98

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.5
Consensus LogP
0.54
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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